4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium

C17H34N2O2Y-2 — CID 159770553

IUPAC4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium
SMILES[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]CCCC(=O)NN.[Y]
InChIInChI=1S/C12H23O.C5H11N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2-3-4-5(8)7-6;/h9H,1,8H2,2-7H3;1-4,6H2,(H,7,8);/q2*-1;
InChIKeyHHYPCNLUIDKWDL-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.47
Rot. Bonds5

About 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium

4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium (PubChem CID 159770553) has the molecular formula C17H34N2O2Y-2 and a molecular weight of 387.38 g/mol. Its IUPAC name is 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium.

Molecular Properties

Compound Name4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium
PubChem CID159770553
Molecular FormulaC17H34N2O2Y-2
Molecular Weight387.38 g/mol
Exact Mass387.17
IUPAC Name4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium
SMILES[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]CCCC(=O)NN.[Y]
InChIInChI=1S/C12H23O.C5H11N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2-3-4-5(8)7-6;/h9H,1,8H2,2-7H3;1-4,6H2,(H,7,8);/q2*-1;
InChIKeyHHYPCNLUIDKWDL-UHFFFAOYSA-N
XLogP3.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium?
The IUPAC name of 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium (CID 159770553) is 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium.
What is the SMILES notation for 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium?
The canonical SMILES for 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium is [CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]CCCC(=O)NN.[Y].
What is the InChIKey of 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium?
The InChIKey is HHYPCNLUIDKWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O.C5H11N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2-3-4-5(8)7-6;/h9H,1,8H2,2-7H3;1-4,6H2,(H,7,8);/q2*-1;.
What are the key properties of 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium?
4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium has a molecular weight of 387.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;pentanehydrazide;yttrium is sourced from PubChem (CID 159770553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).